| SpectraBase Spectrum ID |
4nsBdLxvjQJ |
| Name |
21.xi-Methyl-17-isocholest-5-en-3.beta.,16.xi-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.349780719 u |
| Formula |
C27H46O2 |
| InChI |
InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)25-24(29)16-23-21-10-9-19-15-20(28)11-13-26(19,4)22(21)12-14-27(23,25)5/h9-10,17-25,28-29H,6-8,11-16H2,1-5H3 |
| InChIKey |
NVXIZKAXYNFLOM-UHFFFAOYSA-N |
| Molecular Weight |
402.663 g/mol |
| SMILES |
C1(CCC2(C(C1)C=CC1C2CCC2(C1CC(C2C(CCCC(C)C)C)O)C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91254 |
